As someone who did computational biophysics, my opinion is that MD is meaningless and those plots don't tell you anything of value. Most likely, the senior author is friends with a MD expert and wanted an excuse to put the friend on the paper.
This type of visualisation appears pretty common in such papers so I think perhaps the authors believe that they now need to include them to get published, a cargo cult of sorts.
https://www.nature.com/articles/s41586-019-1112-8/figures/5
They’re utterly incomprehensible to my lowly engineers eye and seem deliberately designed to look as complex as possible.
What do these kinds of images and plots tell us of any value?